Information card for entry 2209097

Structure parameters

• Chemical name: N-cyclohexyl-2-nitrobenzenesulfonamide
• Formula: C12 H16 N2 O4 S
• Calculated formula: C12 H16 N2 O4 S
• SMILES: S(=O)(=O)(NC1CCCCC1)c1c(N(=O)=O)cccc1
• Title of publication: <i>N</i>-Cyclohexyl-2-nitrobenzenesulfonamide
• Authors of publication: Yu-Ye Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2263 - o2264
• a: 9.6392 ± 0.0013 Å
• b: 9.6392 ± 0.0013 Å
• c: 31.162 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2895.4 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes